ethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate

C17H26O2 — CID 176992667

IUPACethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate
SMILESC/C=C(/CC)c1ccc(C(C)C)cc1OC=O.CC
InChIInChI=1S/C15H20O2.C2H6/c1-5-12(6-2)14-8-7-13(11(3)4)9-15(14)17-10-16;1-2/h5,7-11H,6H2,1-4H3;1-2H3/b12-5-;
InChIKeyPBENWDCEHHEOGN-UHPXVVQNSA-N
MW262.39 g/mol
LogP5.18
Rot. Bonds5

About ethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate

ethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate (PubChem CID 176992667) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is ethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate.

Molecular Properties

Compound Nameethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate
PubChem CID176992667
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Nameethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate
SMILESC/C=C(/CC)c1ccc(C(C)C)cc1OC=O.CC
InChIInChI=1S/C15H20O2.C2H6/c1-5-12(6-2)14-8-7-13(11(3)4)9-15(14)17-10-16;1-2/h5,7-11H,6H2,1-4H3;1-2H3/b12-5-;
InChIKeyPBENWDCEHHEOGN-UHPXVVQNSA-N
XLogP5.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.39
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-pent-2-en-3-yl]-3,5-di(propan-2-yl)benzene
CID 173285425
ethane;1-ethyl-2-methoxy-4-propan-2-ylbenzene
CID 166091157
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
4-propan-2-yl-2-propan-2-yloxybenzoic acid
CID 164827443
ethyl-dimethyl-[2-(2-methyl-5-propan-2-ylphenoxy)-2-oxoethyl]azanium
CID 163265203
1-(2-methoxy-5-propan-2-ylphenyl)butane-1,2-dione
CID 94686155
2-ethyl-5-propan-2-ylphenol
CID 45096246
N-(2-methoxy-4-propan-2-ylphenyl)propanamide
CID 110777573
[3,5-di(propan-2-yl)phenyl] formate
CID 91805824
(2-methyl-5-propan-2-ylphenyl) hydrogen carbonate
CID 165362768
(E)-3-(2-methoxy-4-propan-2-ylphenyl)-4-methylpent-2-enoic acid
CID 82302738
2-methoxy-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 110762907

Frequently Asked Questions

What is the IUPAC name of ethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate?
The IUPAC name of ethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate (CID 176992667) is ethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate.
What is the SMILES notation for ethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate?
The canonical SMILES for ethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate is C/C=C(/CC)c1ccc(C(C)C)cc1OC=O.CC.
What is the InChIKey of ethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate?
The InChIKey is PBENWDCEHHEOGN-UHPXVVQNSA-N. The full InChI is InChI=1S/C15H20O2.C2H6/c1-5-12(6-2)14-8-7-13(11(3)4)9-15(14)17-10-16;1-2/h5,7-11H,6H2,1-4H3;1-2H3/b12-5-;.
What are the key properties of ethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate?
ethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate has a molecular weight of 262.39 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[2-[(Z)-pent-2-en-3-yl]-5-propan-2-ylphenyl] formate is sourced from PubChem (CID 176992667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).